N-[(2R,3S)-2-ethyl-1-methylpyrrolidin-3-yl]-2,2-dimethyl-3-[[3-(trifluoromethyl)-2-pyridinyl]oxy]propanamide

C18H26F3N3O2 — CID 146423655

IUPACN-[(2R,3S)-2-ethyl-1-methylpyrrolidin-3-yl]-2,2-dimethyl-3-[[3-(trifluoromethyl)-2-pyridinyl]oxy]propanamide
SMILESCC[C@@H]1[C@@H](NC(=O)C(C)(C)COc2ncccc2C(F)(F)F)CCN1C
InChIInChI=1S/C18H26F3N3O2/c1-5-14-13(8-10-24(14)4)23-16(25)17(2,3)11-26-15-12(18(19,20)21)7-6-9-22-15/h6-7,9,13-14H,5,8,10-11H2,1-4H3,(H,23,25)/t13-,14+/m0/s1
InChIKeyXBMMOOBAJWSEDQ-UONOGXRCSA-N
MW373.42 g/mol
LogP3.10
Rot. Bonds6

About N-[(2R,3S)-2-ethyl-1-methylpyrrolidin-3-yl]-2,2-dimethyl-3-[[3-(trifluoromethyl)-2-pyridinyl]oxy]propanamide

N-[(2R,3S)-2-ethyl-1-methylpyrrolidin-3-yl]-2,2-dimethyl-3-[[3-(trifluoromethyl)-2-pyridinyl]oxy]propanamide (PubChem CID 146423655) has the molecular formula C18H26F3N3O2 and a molecular weight of 373.42 g/mol. Its IUPAC name is N-[(2R,3S)-2-ethyl-1-methylpyrrolidin-3-yl]-2,2-dimethyl-3-[[3-(trifluoromethyl)-2-pyridinyl]oxy]propanamide.

Molecular Properties

Compound NameN-[(2R,3S)-2-ethyl-1-methylpyrrolidin-3-yl]-2,2-dimethyl-3-[[3-(trifluoromethyl)-2-pyridinyl]oxy]propanamide
PubChem CID146423655
Molecular FormulaC18H26F3N3O2
Molecular Weight373.42 g/mol
Exact Mass373.20
IUPAC NameN-[(2R,3S)-2-ethyl-1-methylpyrrolidin-3-yl]-2,2-dimethyl-3-[[3-(trifluoromethyl)-2-pyridinyl]oxy]propanamide
SMILESCC[C@@H]1[C@@H](NC(=O)C(C)(C)COc2ncccc2C(F)(F)F)CCN1C
InChIInChI=1S/C18H26F3N3O2/c1-5-14-13(8-10-24(14)4)23-16(25)17(2,3)11-26-15-12(18(19,20)21)7-6-9-22-15/h6-7,9,13-14H,5,8,10-11H2,1-4H3,(H,23,25)/t13-,14+/m0/s1
InChIKeyXBMMOOBAJWSEDQ-UONOGXRCSA-N
XLogP3.10
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.42
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(2R,3S)-2-ethyl-1-methylpyrrolidin-3-yl]-2,2-dimethyl-3-[[3-(trifluoromethyl)-2-pyridinyl]oxy]propanamide?
The IUPAC name of N-[(2R,3S)-2-ethyl-1-methylpyrrolidin-3-yl]-2,2-dimethyl-3-[[3-(trifluoromethyl)-2-pyridinyl]oxy]propanamide (CID 146423655) is N-[(2R,3S)-2-ethyl-1-methylpyrrolidin-3-yl]-2,2-dimethyl-3-[[3-(trifluoromethyl)-2-pyridinyl]oxy]propanamide.
What is the SMILES notation for N-[(2R,3S)-2-ethyl-1-methylpyrrolidin-3-yl]-2,2-dimethyl-3-[[3-(trifluoromethyl)-2-pyridinyl]oxy]propanamide?
The canonical SMILES for N-[(2R,3S)-2-ethyl-1-methylpyrrolidin-3-yl]-2,2-dimethyl-3-[[3-(trifluoromethyl)-2-pyridinyl]oxy]propanamide is CC[C@@H]1[C@@H](NC(=O)C(C)(C)COc2ncccc2C(F)(F)F)CCN1C.
What is the InChIKey of N-[(2R,3S)-2-ethyl-1-methylpyrrolidin-3-yl]-2,2-dimethyl-3-[[3-(trifluoromethyl)-2-pyridinyl]oxy]propanamide?
The InChIKey is XBMMOOBAJWSEDQ-UONOGXRCSA-N. The full InChI is InChI=1S/C18H26F3N3O2/c1-5-14-13(8-10-24(14)4)23-16(25)17(2,3)11-26-15-12(18(19,20)21)7-6-9-22-15/h6-7,9,13-14H,5,8,10-11H2,1-4H3,(H,23,25)/t13-,14+/m0/s1.
What are the key properties of N-[(2R,3S)-2-ethyl-1-methylpyrrolidin-3-yl]-2,2-dimethyl-3-[[3-(trifluoromethyl)-2-pyridinyl]oxy]propanamide?
N-[(2R,3S)-2-ethyl-1-methylpyrrolidin-3-yl]-2,2-dimethyl-3-[[3-(trifluoromethyl)-2-pyridinyl]oxy]propanamide has a molecular weight of 373.42 g/mol, XLogP of 3.10, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R,3S)-2-ethyl-1-methylpyrrolidin-3-yl]-2,2-dimethyl-3-[[3-(trifluoromethyl)-2-pyridinyl]oxy]propanamide is sourced from PubChem (CID 146423655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).